SCHEMBL18735087

SCHEMBL18735087

CCC(=O)N[C@@H](CSC(=O)CC(=O)SC[C@H](NC(=O)CC)C(=O)OC)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18734801 1.00 HDAC2 (0.36) HDAC2CYP2C9KMT2AMEN1POLB
SCHEMBL18735203 0.92 ITGB1 (0.35) HDAC2CYP2C9POLBITGB1ITGA4
SCHEMBL17164976 0.92 HDAC2 (0.39) HDAC2CYP2C9KMT2AMEN1POLB
SCHEMBL17164977 0.92 HDAC2 (0.39) HDAC2CYP2C9KMT2AMEN1POLB
SCHEMBL18735088 0.89 HDAC2 (0.36) HDAC2CYP2C9KMT2APOLB
SCHEMBL18720196 0.86 ITGB1 (0.41) HDAC2KMT2APOLBITGB1ITGA4
SCHEMBL14693833 0.84 ITGB1 (0.46) HDAC2CYP2C9ITGB1ITGA4
SCHEMBL14693834 0.84 ITGB1 (0.46) HDAC2CYP2C9ITGB1ITGA4
SCHEMBL18735061 0.83 KMT2A (0.46) CYP2C9KMT2APOLB
SCHEMBL18735063 0.81 KMT2A (0.50) CYP2C9KMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060400-A1 PROTECTED CARBOXYLIC ACID-BASED METABOLITES FOR THE TREATMENT OF DISESASES RELATED TO MITOCHONDRIAL DYSFUNCTIONS NEUROVIVE PHARMACEUTICAL AB (SE) 2017-04-13 — — WO disclosed
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